SCHEMBL31043009

SCHEMBL31043009

NCCO/N=C(\CCCC(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.70
CYP1A2 P05177 2/20 0.70
CYP3A4 P08684 2/20 0.70
CYP2D6 P10635 2/20 0.70
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 2/20 0.70
HIF1A Q16665 2/20 0.70
MEN1 O00255 2/20 0.70
LMNA P02545 2/20 0.70
KMT2A Q03164 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
NFKB1 P19838 1/20 0.70
SLC6A2 P23975 1/20 0.70
ADRA1A P35348 1/20 0.70
OPRK1 P41145 1/20 0.70
SLC6A3 Q01959 1/20 0.70
KCNH2 Q12809 1/20 0.70
SCN5A Q14524 1/20 0.70
SIGMAR1 Q99720 1/20 0.70
BLM P54132 1/20 0.69

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4258563 0.88 SLC6A4 (0.74) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4258566 0.86 SLC6A4 (0.79) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10072146 0.86 SLC6A4 (0.79) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16220938 0.85 SLC6A4 (0.77) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28706942 0.85 SLC6A4 (0.77) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30628134 0.85 SLC6A4 (0.77) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13090665 0.84 SLC6A4 (0.93) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9
Fumaric Acid SCHEMBL7346906 0.83 MEN1 (0.79) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9
Maleic Acid SCHEMBL7346900 0.83 MEN1 (0.79) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9
Fluvoxamine SCHEMBL27816994 0.83 SLC6A4 (0.95) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250352561-A1 COMPOSITIONS AND METHODS USING TETRAHYDROCANNABINOL AND COMPOSITIONS INCLUDING SAME FOR TREATING INDICATIONS INVOLVING INFLAMMATION NAGY AURANGZEB NAFEES (US) 2025-11-20 US disclosed
WO-2024159198-A2 COMPOSITIONS AND METHODS USING TETRAHYDROCANNABINOL AND COMPOSITIONS INCLUDING SAME FOR TREATING INDICATIONS INVOLVING INFLAMMATION NAGY AURANGZEB NAFEES (US) 2024-08-02 WO disclosed